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Yorodumi- ChemComp-PQ7: 4-(dimethylamino)-1-{4-[4-(4-{[4-(pyrrolidin-1-yl)pyridinium-1-yl... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: PQ7 |
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Name | Name: |
-Chemical information
Composition | Formula: C34H42N4 / Number of atoms: 80 / Formula weight: 506.724 / Formal charge: 2 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: PQ7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5FUT | ||||
History |
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External links | UniChem / ChemSpider / ChEMBL / PubChem / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.7.6 | |
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-PDB entries
Showing all 1 items
PDB-5fut:
Human choline kinase a1 in complex with compound 4-(dimethylamino)-1-{4-[4-(4-{[4-(pyrrolidin- 1-yl)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium (compound BR25)